3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one

C15H13FN2O2 — CID 15284627

IUPAC3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one
SMILESCOc1ccc2c(c1)N(c1ccccc1F)C(=O)C2N
InChIInChI=1S/C15H13FN2O2/c1-20-9-6-7-10-13(8-9)18(15(19)14(10)17)12-5-3-2-4-11(12)16/h2-8,14H,17H2,1H3
InChIKeyHVTBKJKSTCQQNO-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.51
Rot. Bonds2

About 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one

3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one (PubChem CID 15284627) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one
PubChem CID15284627
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one
SMILESCOc1ccc2c(c1)N(c1ccccc1F)C(=O)C2N
InChIInChI=1S/C15H13FN2O2/c1-20-9-6-7-10-13(8-9)18(15(19)14(10)17)12-5-3-2-4-11(12)16/h2-8,14H,17H2,1H3
InChIKeyHVTBKJKSTCQQNO-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one?
The IUPAC name of 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one (CID 15284627) is 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one?
The canonical SMILES for 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one is COc1ccc2c(c1)N(c1ccccc1F)C(=O)C2N.
What is the InChIKey of 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one?
The InChIKey is HVTBKJKSTCQQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-20-9-6-7-10-13(8-9)18(15(19)14(10)17)12-5-3-2-4-11(12)16/h2-8,14H,17H2,1H3.
What are the key properties of 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one?
3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one has a molecular weight of 272.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluorophenyl)-6-methoxy-3H-indol-2-one is sourced from PubChem (CID 15284627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).